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2H-Benzimidazole-2-Thione, 1,3-Dihydro-, Zinc Salt (2:1)
CAS: 3030-80-6 | C7H6N2SZn
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3030-80-6
Molecular Formula:
C7H6N2SZn
Molecular Mass:
215.60 g/mol
Names and Synonyms:
2H-Benzimidazole-2-Thione, 1,3-Dihydro-, Zinc Salt (2:1)
2H-Benzimidazole-2-thione, 1,3-dihydro-, zinc salt (2:1)
2-Benzimidazolethiol, zinc salt (2:1)
Zinc, bis(2-benzimidazolethiolato)-
Antioxidant ZMB
Benzimidazolethiol zinc salt
Zinc mercaptobenzimidazole
2-Mercaptobenzimidazole zinc salt (2:1)
2-Mercaptobenzimidazole zinc salt
Zinc, bis(1H-benzimidazole-2-thiolato)-
Zinc benzimidazole-2-thiolate
Zinc bis(1H-benzimidazole-2-thiolate)
ZMB
Zinc bis(benzimidazole-2-thiolate)
Vulkanox ZMB
Nocrac MBZ
Antage MBZ
Zinc 2-mercaptobenzimidazole
1,3-Dihydro-2H-benzimidazole-2-thione zinc salt (2:1)
Antioxidant MBZ
Antioxidant ZMBI
ZMBI
Identifiers:
SMILES:
Sc1nc2ccccc2[nH]1.[Zn]
InChI:
InChI=1S/C7H6N2S.Zn/c10-7-8-5-3-1-2-4-6(5)9-7;/h1-4H,(H2,8,9,10);
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 215.60 g/mol | CAS Common Chemistry |
| 215.596 g/mol | RDKit | |
| 213.954311392 g/mol | RDKit | |
| Canonical SMILES | [Zn].S=C1NC=2C=CC=CC2N1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H6N2S.Zn/c10-7-8-5-3-1-2-4-6(5)9-7;/h1-4H,(H2,8,9,10); | CAS Common Chemistry |
| InChI Key | InChIKey=LLZHXQRNOOAOFF-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2H-Benzimidazole-2-thione, 1,3-dihydro-, zinc salt (2:1) | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 28.68 Ų | RDKit |
| LogP | 1.8490999999999995 | RDKit |
| Molar Refractivity | 43.345700000000015 | RDKit |
